Geometry & MOs

Info

ID:	196477
PubChem CID:	78836711
Reduced:	NO2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	409.119319
ΔH_f, kcal/mol:	-128.73
Dipole, Da:	5.83
IP(EA), eV:	-8.86(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=CC=C(C=C2)O)C(=O)C3CC(=O)NC4=CC=CC=C34

DOS

IR

Vibrations